3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride

C8H7Cl2FO3S — CID 84713464

IUPAC3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride
SMILESCOc1c(C)cc(Cl)c(F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-4-3-5(9)6(11)8(7(4)14-2)15(10,12)13/h3H,1-2H3
InChIKeyZUGWKHRPAQHVCY-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.72
Rot. Bonds2

About 3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride

3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride (PubChem CID 84713464) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is 3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride
PubChem CID84713464
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride
SMILESCOc1c(C)cc(Cl)c(F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-4-3-5(9)6(11)8(7(4)14-2)15(10,12)13/h3H,1-2H3
InChIKeyZUGWKHRPAQHVCY-UHFFFAOYSA-N
XLogP2.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride?
The IUPAC name of 3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride (CID 84713464) is 3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride is COc1c(C)cc(Cl)c(F)c1S(=O)(=O)Cl.
What is the InChIKey of 3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride?
The InChIKey is ZUGWKHRPAQHVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c1-4-3-5(9)6(11)8(7(4)14-2)15(10,12)13/h3H,1-2H3.
What are the key properties of 3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride?
3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride has a molecular weight of 273.11 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84713464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).